SCHEMBL14592358

SCHEMBL14592358

Cn1nc2ccccc2c1C(=O)Nc1cc(F)c(CC(=O)N2C[C@@H](F)C[C@H]2CO[C@H]2CC[C@H](C(=O)O)CC2)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.74
▸ ITGA4 P13612 20/20 0.74

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14592357 0.94 ITGA4 (0.65) ITGB1ITGA4
SCHEMBL14592353 0.88 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL12327684 0.87 ITGA4 (0.54) ITGB1ITGA4
SCHEMBL14592283 0.85 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592323 0.84 ITGA4 (0.78) ITGB1ITGA4
SCHEMBL14592686 0.84 ITGA4 (1.00) ITGB1ITGA4
SCHEMBL14592347 0.84 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592335 0.83 ITGA4 (1.00) ITGB1ITGA4
SCHEMBL14592342 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592350 0.82 ITGA4 (0.70) ITGB1ITGA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
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